Files
lammps/examples/USER/yaff
2019-01-22 10:09:10 +01:00
..
2019-01-22 10:09:10 +01:00

mof5:
    NPT simulation of MOF5 using a QuickFF force field

mil53al:
    NPT simulation of MIL-53(Al) using a QuickFF force field.
    If the pressure is high enough (for instance 2000 atm),
    a phase transition from large pore to narrow pore is observed